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Tetrahydrobiopterin

CAT: 0931-T17056-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17056-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17528-72-2
Target
Endogenous Metabolite, NOS, NO Synthase
Related Pathways
Immunology/Inflammation, Metabolism
Purity
0.9982
Bioactivity
Tetrahydrobiopterin (BH4) is a cofactor for aromatic amino acid hydroxylases and an essential cofactor for nitric oxide synthase (NOS), which is used in the study of endothelial dysfunction such as hypertension, hypercholesterolemia, and diabetes.
Smiles
CC(O)C(O)C1CNc2[nH]c(N)nc(=O)c2N1
Molecular Formula
C9H15N5O3
Molecular Weight
241.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tetrahydrobiopterin

5,6,7,8-tetrahydrobiopterin is a member of biopterins, a diol and a tetrahydropterin. It has a role as a coenzyme, a prosthetic group, a nutraceutical and a human metabolite.

CAS Number17528-72-2
PubChem CID135402045
IUPAC Name2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
Molecular FormulaC9H15N5O3
Molecular Weight241.25
XLogP-1.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity405
SMILES
CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChI
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKey
FNKQXYHWGSIFBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrobiopterin
CAS: 17528-72-2
CID: 135402045
Formula: C9H15N5O3
MW: 241.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.25
XLogP3-1.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass241.11748936
Monoisotopic Mass241.11748936
Topological Polar Surface Area132 Ų
Heavy Atom Count17
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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